56593274
  -OEChem-04182419142D

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    6.3981    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
56593274

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
588

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHgAAAAAADAzBnwYz9vcIFACgAyZiZACCiCkhIqAJmCA/7JiPbqLE+duVNCpuwBva6Cew0BMOIEABAgACUABAgAIEAASgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]-N,N-dimethyl-ethanamine

> <PUBCHEM_IUPAC_CAS_NAME>
2-[6,7-dimethoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-quinazolinyl]-N,N-dimethylethanamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]-<I>N</I>,<I>N</I>-dimethylethanamine

> <PUBCHEM_IUPAC_NAME>
2-[6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]-N,N-dimethylethanamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-2-yl]-N,N-dimethyl-ethanamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazino]quinazolin-2-yl]ethyl-dimethyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H33N5O3/c1-28(2)11-10-24-26-19-17-23(33-5)22(32-4)16-18(19)25(27-24)30-14-12-29(13-15-30)20-8-6-7-9-21(20)31-3/h6-9,16-17H,10-15H2,1-5H3

> <PUBCHEM_IUPAC_INCHIKEY>
RRQMTTVLMMRAEF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
451.25833993

> <PUBCHEM_MOLECULAR_FORMULA>
C25H33N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
451.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)C4=CC=CC=C4OC)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)C4=CC=CC=C4OC)OC)OC

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
451.25833993

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
14  17  8
14  18  8
15  16  8
15  20  8
16  22  8
17  24  8
18  26  8
20  25  8
22  27  8
24  28  8
25  27  8
26  28  8
6  13  8
6  19  8
7  16  8
7  19  8

$$$$